4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran

C12H16O — CID 15710159

IUPAC4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran
SMILESC=C1COCC=C1C1=C(C)CCC1
InChIInChI=1S/C12H16O/c1-9-4-3-5-11(9)12-6-7-13-8-10(12)2/h6H,2-5,7-8H2,1H3
InChIKeyGTVJEGIYXNATPT-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.00
Rot. Bonds1

About 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran

4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran (PubChem CID 15710159) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran.

Molecular Properties

Compound Name4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran
PubChem CID15710159
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran
SMILESC=C1COCC=C1C1=C(C)CCC1
InChIInChI=1S/C12H16O/c1-9-4-3-5-11(9)12-6-7-13-8-10(12)2/h6H,2-5,7-8H2,1H3
InChIKeyGTVJEGIYXNATPT-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran?
The IUPAC name of 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran (CID 15710159) is 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran.
What is the SMILES notation for 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran?
The canonical SMILES for 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran is C=C1COCC=C1C1=C(C)CCC1.
What is the InChIKey of 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran?
The InChIKey is GTVJEGIYXNATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-4-3-5-11(9)12-6-7-13-8-10(12)2/h6H,2-5,7-8H2,1H3.
What are the key properties of 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran?
4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran has a molecular weight of 176.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran is sourced from PubChem (CID 15710159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).